Structure Information
Structure

Compound Identification

SMILES

ClC1=CC(C(=O)NC(=S)NC2=CC3=C(OC(=O)C=C3)C=C2)=C(Cl)C=C1

InChIKey

InChIKey=OJPMHYKLQOQEAL-UHFFFAOYSA-N

Formula

C17H10Cl2N2O3S

Mass

393.24

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 1-benzopyran - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous halide - Heteroaromatic compound - Thiourea - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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